6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

C12H13N5O — CID 82293668

IUPAC6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCC(=O)N3)cn1N
InChIInChI=1S/C12H13N5O/c13-12-16-10(6-17(12)14)8-1-3-9-7(5-8)2-4-11(18)15-9/h1,3,5-6H,2,4,14H2,(H2,13,16)(H,15,18)
InChIKeyDGGLFCMYMDWERD-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.73
Rot. Bonds1

About 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82293668) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82293668
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCC(=O)N3)cn1N
InChIInChI=1S/C12H13N5O/c13-12-16-10(6-17(12)14)8-1-3-9-7(5-8)2-4-11(18)15-9/h1,3,5-6H,2,4,14H2,(H2,13,16)(H,15,18)
InChIKeyDGGLFCMYMDWERD-UHFFFAOYSA-N
XLogP0.73
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82482603
4-bromo-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 116858186

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 82293668) is 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cn1N.
What is the InChIKey of 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DGGLFCMYMDWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-12-16-10(6-17(12)14)8-1-3-9-7(5-8)2-4-11(18)15-9/h1,3,5-6H,2,4,14H2,(H2,13,16)(H,15,18).
What are the key properties of 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 243.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82293668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).